7V8U
Crystal structure of PsEst3 wild-type
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97960 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 145.134, 145.134, 145.134 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.380 - 2.250 |
R-factor | 0.1812 |
Rwork | 0.179 |
R-free | 0.20980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zj4 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | BALBES |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.380 | 48.380 | 2.320 |
High resolution limit [Å] | 2.250 | 8.990 | 2.250 |
Rmerge | 0.082 | 0.058 | 0.232 |
Rmeas | 0.083 | 0.060 | 0.241 |
Rpim | 0.014 | 0.012 | 0.066 |
Total number of observations | 785631 | 10991 | 30014 |
Number of reflections | 25533 | 476 | 2300 |
<I/σ(I)> | 36.6 | 45.6 | 11.5 |
Completeness [%] | 99.9 | 96.6 | 99.9 |
Redundancy | 30.8 | 23.1 | 13 |
CC(1/2) | 0.999 | 0.997 | 0.988 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | 0.1 M bis-tris pH 6.5, 2.0 M ammonium sulfate |